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CHEBI:78329 - 13,14-dihydrolipoxin A4(1−)

ChEBI IDCHEBI:78329
ChEBI Name13,14-dihydrolipoxin A4(1−)
Stars
ASCII Name13,14-dihydrolipoxin A4(1-)
DefinitionA hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 13,14-dihydrolipoxin A4; major species at pH 7.3.
Last Modified29 July 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H33O5
Net Charge-1
Average Mass353.479
Monoisotopic Mass353.23335
SMILESCCCCC[C@H](O)CC/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,14-10+/t17-,18+,19-/m0/s1
InChIKeyWRFBDEURXXFJRY-ZREXUFMBSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
13,14-dihydrolipoxin A4(1−) (CHEBI:78329) has role human metabolite (CHEBI:77746)
13,14-dihydrolipoxin A4(1−) (CHEBI:78329) is a hydroxy fatty acid anion (CHEBI:59835)
13,14-dihydrolipoxin A4(1−) (CHEBI:78329) is a icosanoid anion (CHEBI:62937)
13,14-dihydrolipoxin A4(1−) (CHEBI:78329) is a long-chain fatty acid anion (CHEBI:57560)
13,14-dihydrolipoxin A4(1−) (CHEBI:78329) is a polyunsaturated fatty acid anion (CHEBI:76567)
IUPAC Name 
(5S,6R,7E,9E,11Z,15S)-5,6,15-trihydroxyicosa-7,9,11-trienoate
UniProt Name  Source
(5S,6R,15S)-trihydroxy-(7E,9E,11Z)-eicosatrienoateUniProt
Citations